SCHEMBL17395877

SCHEMBL17395877

Cc1cccc(C)c1N=Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
PKM P14618 1/20 0.60
POLB P06746 3/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 2/20 0.56
MAPK1 P28482 1/20 0.56
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
ALDH1A1 P00352 7/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HCRTR1 O43613 1/20 0.55
GAA P10253 2/20 0.54
ERN1 O75460 1/20 0.54
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16305385 1.00 MAPT (0.60) MAPTPKMPOLBMEN1KMT2A
SCHEMBL11191621 0.89 MAPT (0.60) MAPTPKMPOLBMEN1KMT2A
SCHEMBL11191620 0.89 MAPT (0.60) MAPTPKMPOLBMEN1KMT2A
SCHEMBL14011741 0.89 MAPT (0.60) MAPTPKMPOLBMEN1KMT2A
SCHEMBL17413585 0.87 ALDH1A1 (0.49) MAPTPKMPOLBMEN1KMT2A
SCHEMBL14011719 0.87 MAPT (0.58) MAPTPKMPOLBMEN1KMT2A
SCHEMBL17395860 0.87 MAPT (0.58) MAPTPKMPOLBMEN1KMT2A
SCHEMBL10182503 0.85 MAPT (0.65) MAPTPKMPOLBMEN1KMT2A
SCHEMBL17395868 0.85 MAPT (0.65) MAPTPKMPOLBMEN1KMT2A
SCHEMBL17395890 0.83 MAPT (0.66) MAPTPKMPOLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250142-B Group 8 transition metal catalyst, method for producing same and use thereof in metathesis reactions 光明创新(武汉)有限公司 2020-10-30 CN disclosed
US-10160828-B2 Group 8 transition metal catalysts and method for making same and process for use of same in metathesis reaction GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2018-12-25 US disclosed
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2017-05-25 US disclosed
EP-3164409-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION Guang Ming Innovation Company (Wuhan) (CN) 2017-05-10 EP disclosed
WO-2016000242-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2016-01-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION F8, COASY, FADS1 MAPT 3667/4885PKM 332/4885POLB 3132/4885
US-10160828-B2 Group 8 transition metal catalysts and method for making same and process for use of same in metathesis reaction F8, COASY, FADS1 MAPT 3667/4885PKM 332/4885POLB 3132/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.